CID 22123753

2-(2-ethoxyethyl)oxirane

Structural Information

Molecular Formula
C6H12O2
SMILES
CCOCCC1CO1
InChI
InChI=1S/C6H12O2/c1-2-7-4-3-6-5-8-6/h6H,2-5H2,1H3
InChIKey
QXHDNKAJUJZWGJ-UHFFFAOYSA-N
Compound name
2-(2-ethoxyethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

116.08373 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 124.2
[M+Na]+ 139.07295 133.4
[M-H]- 115.07645 129.6
[M+NH4]+ 134.11755 140.9
[M+K]+ 155.04689 134.0
[M+H-H2O]+ 99.080990 118.2
[M+HCOO]- 161.08193 147.7
[M+CH3COO]- 175.09758 173.3
[M+Na-2H]- 137.05840 132.9
[M]+ 116.08318 130.1
[M]- 116.08428 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe